carbanide;hafnium;methanol;bis(1-methylcyclopenta-1,3-diene)

C14H21HfO-3 — CID 163442197

IUPACcarbanide;hafnium;methanol;bis(1-methylcyclopenta-1,3-diene)
SMILESCO.Cc1ccc[cH-]1.Cc1ccc[cH-]1.[CH3-].[Hf]
InChIInChI=1S/2C6H7.CH4O.CH3.Hf/c2*1-6-4-2-3-5-6;1-2;;/h2*2-5H,1H3;2H,1H3;1H3;/q2*-1;;-1;
InChIKeyAZLTYDXGROCBLR-UHFFFAOYSA-N
MW383.81 g/mol
LogP3.48
Rot. Bonds

About carbanide;hafnium;methanol;bis(1-methylcyclopenta-1,3-diene)

carbanide;hafnium;methanol;bis(1-methylcyclopenta-1,3-diene) (PubChem CID 163442197) has the molecular formula C14H21HfO-3 and a molecular weight of 383.81 g/mol. Its IUPAC name is carbanide;hafnium;methanol;bis(1-methylcyclopenta-1,3-diene).

Molecular Properties

Compound Namecarbanide;hafnium;methanol;bis(1-methylcyclopenta-1,3-diene)
PubChem CID163442197
Molecular FormulaC14H21HfO-3
Molecular Weight383.81 g/mol
Exact Mass385.11
IUPAC Namecarbanide;hafnium;methanol;bis(1-methylcyclopenta-1,3-diene)
SMILESCO.Cc1ccc[cH-]1.Cc1ccc[cH-]1.[CH3-].[Hf]
InChIInChI=1S/2C6H7.CH4O.CH3.Hf/c2*1-6-4-2-3-5-6;1-2;;/h2*2-5H,1H3;2H,1H3;1H3;/q2*-1;;-1;
InChIKeyAZLTYDXGROCBLR-UHFFFAOYSA-N
XLogP3.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.81
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbanide;hafnium;methanol;bis(1-methylcyclopenta-1,3-diene)?
The IUPAC name of carbanide;hafnium;methanol;bis(1-methylcyclopenta-1,3-diene) (CID 163442197) is carbanide;hafnium;methanol;bis(1-methylcyclopenta-1,3-diene).
What is the SMILES notation for carbanide;hafnium;methanol;bis(1-methylcyclopenta-1,3-diene)?
The canonical SMILES for carbanide;hafnium;methanol;bis(1-methylcyclopenta-1,3-diene) is CO.Cc1ccc[cH-]1.Cc1ccc[cH-]1.[CH3-].[Hf].
What is the InChIKey of carbanide;hafnium;methanol;bis(1-methylcyclopenta-1,3-diene)?
The InChIKey is AZLTYDXGROCBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H7.CH4O.CH3.Hf/c2*1-6-4-2-3-5-6;1-2;;/h2*2-5H,1H3;2H,1H3;1H3;/q2*-1;;-1;.
What are the key properties of carbanide;hafnium;methanol;bis(1-methylcyclopenta-1,3-diene)?
carbanide;hafnium;methanol;bis(1-methylcyclopenta-1,3-diene) has a molecular weight of 383.81 g/mol, XLogP of 3.48, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;hafnium;methanol;bis(1-methylcyclopenta-1,3-diene) is sourced from PubChem (CID 163442197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).